SCHEMBL5872943

SCHEMBL5872943

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
LRRK2 Q5S007 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP4F2 P78329 1/20 0.39
UBE2N P61088 1/20 0.39
CHEK1 O14757 2/20 0.38
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FGFR1 P11362 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5873219 0.84 NAMPT (0.38) ALDH1A1LRRK2
SCHEMBL5872779 0.81 TDO2 (0.41) ALDH1A1LRRK2HRH3
SCHEMBL6506307 0.81 LRRK2 (0.53) LRRK2FGFR1CNR2
SCHEMBL5813034 0.78 LRRK2 (0.55) ALDH1A1LMNALRRK2FGFR1
SCHEMBL5873090 0.75 PLK4 (0.47) FGFR1
SCHEMBL5873036 0.74 IDO1 (0.43) ALDH1A1LRRK2FGFR1
SCHEMBL5873162 0.73 NTRK1 (0.55)
SCHEMBL5770987 0.72 FGFR1 (0.53) FGFR1
SCHEMBL5872877 0.71 LRRK2 (0.46) LRRK2
SCHEMBL5777277 0.70 KDM4E (0.63) ALDH1A1LRRK2FGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885LMNA 881/4885HIF1A 3531/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885LMNA 881/4885HIF1A 3531/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.